β-cholesteryl (S)-2-(3-benzoylphenyl)propionate | 913843-18-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: β-cholesteryl (S)-2-(3-benzoylphenyl)propionate
• 英文别名: (S)-ketoprofen-β-cholesterol；[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S)-2-(3-benzoylphenyl)propanoate
• CAS: 913843-18-2
• 化学式: C₄₃H₅₈O₃
• 分子量: 622.932
• InChiKey: YSTJOGFMWNRZTP-JRFUOJHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-cholesteryl (S)-2-(3-benzoylphenyl)propionate 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Efficient and Selective Photogeneration of Cholesterol-Derived Radicals by Intramolecular Hydrogen Abstraction in Model Dyads

  摘要：

  [GRAPHICS]Three model dyads have been synthesized by esterification of beta- and alpha-cholesterol (Ch) with (S)- and/or (R)-ketoprofen (Kp). The alpha-dyads are efficient photogenerators of the 7-allyl Ch radicals by intramolecular H abstraction. Subsequent cyclization via C-C coupling occurs in a stereoselective way.

  DOI：

  10.1021/ol061854c
• 作为产物：
  描述：

  右旋酮洛芬 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 β-cholesteryl (S)-2-(3-benzoylphenyl)propionate
  参考文献：
  名称：

  Efficient and Selective Photogeneration of Cholesterol-Derived Radicals by Intramolecular Hydrogen Abstraction in Model Dyads

  摘要：

  [GRAPHICS]Three model dyads have been synthesized by esterification of beta- and alpha-cholesterol (Ch) with (S)- and/or (R)-ketoprofen (Kp). The alpha-dyads are efficient photogenerators of the 7-allyl Ch radicals by intramolecular H abstraction. Subsequent cyclization via C-C coupling occurs in a stereoselective way.

  DOI：

  10.1021/ol061854c